SCHEMBL29593249

SCHEMBL29593249

O=C(N1CCn2cc(-c3c[nH]cc3-c3cnc4ccccn34)c3cc(C(F)(F)F)cc(c32)C1)N1CC(F)(F)OC(F)(F)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.53
GSK3A P49840 15/20 0.53
PRKCB P05771 6/20 0.53
CDK4 P11802 6/20 0.53
CDK2 P24941 5/20 0.53
CAMK2G Q13555 3/20 0.53
CAMK2D Q13557 3/20 0.53
PDK1 Q15118 3/20 0.53
CDK5 Q00535 3/20 0.53
PRKCG P05129 2/20 0.53
LCK P06239 2/20 0.53
CDK1 P06493 2/20 0.53
PIM1 P11309 2/20 0.53
CLK2 P49760 2/20 0.53
RPS6KA3 P51812 2/20 0.53
PRKCD Q05655 2/20 0.53
DYRK1A Q13627 2/20 0.53
PKN2 Q16513 2/20 0.53
SLK Q9H2G2 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29594123 0.91 GSK3B (0.64) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL29594479 0.90 GSK3B (0.56) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL29593733 0.89 GSK3B (0.63) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL29534245 0.89 GSK3B (0.68) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577580 0.89 GSK3B (0.68) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL20439154 0.87 GSK3B (0.56) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL22510713 0.87 GSK3B (0.52) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL22510694 0.87 GSK3B (0.52) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL20439165 0.87 GSK3B (0.56) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL29593130 0.87 GSK3B (0.51) GSK3BGSK3APRKCBCDK4CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114340611-A Combination of CHIR99021 and valproic acid for the treatment of hearing loss 频率医疗公司 2022-04-12 CN disclosed